# generated using pymatgen data_Ba13Bi11O36 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.76159300 _cell_length_b 10.91033520 _cell_length_c 10.91090912 _cell_angle_alpha 60.01061550 _cell_angle_beta 70.23491024 _cell_angle_gamma 80.26362386 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba13Bi11O36 _chemical_formula_sum 'Ba13 Bi11 O36' _cell_volume 1044.19699433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.50000000 0.50000000 1.0 Ba Ba1 1 0.87836500 0.16119900 0.54647700 1.0 Ba Ba2 1 0.12163500 0.83880100 0.45352300 1.0 Ba Ba3 1 0.12264100 0.49503200 0.12676800 1.0 Ba Ba4 1 0.38143600 0.50040500 0.37213400 1.0 Ba Ba5 1 0.87855100 0.83373200 0.20225400 1.0 Ba Ba6 1 0.87735900 0.50496800 0.87323200 1.0 Ba Ba7 1 0.62242300 0.16637300 0.29262400 1.0 Ba Ba8 1 0.12144900 0.16626800 0.79774600 1.0 Ba Ba9 1 0.37474600 0.16593300 0.04236900 1.0 Ba Ba10 1 0.61856400 0.49959500 0.62786600 1.0 Ba Ba11 1 0.62525400 0.83406700 0.95763100 1.0 Ba Ba12 1 0.37757700 0.83362700 0.70737600 1.0 Bi Bi13 1 0.25266700 0.16126600 0.41838600 1.0 Bi Bi14 1 0.99727000 0.16660100 0.16768500 1.0 Bi Bi15 1 0.74761600 0.49762700 0.24767000 1.0 Bi Bi16 1 0.50012000 0.83080200 0.33570000 1.0 Bi Bi17 1 0.50000000 0.50000000 0.00000000 1.0 Bi Bi18 1 0.25238400 0.50237300 0.75233000 1.0 Bi Bi19 1 0.25332800 0.83644900 0.07665400 1.0 Bi Bi20 1 0.00273000 0.83339900 0.83231500 1.0 Bi Bi21 1 0.74667200 0.16355100 0.92334600 1.0 Bi Bi22 1 0.49988000 0.16919800 0.66430000 1.0 Bi Bi23 1 0.74733300 0.83873400 0.58161400 1.0 O O24 1 0.86723700 0.71445200 0.49262000 1.0 O O25 1 0.86582200 0.44819800 0.38250500 1.0 O O26 1 0.38497000 0.67604100 0.57375100 1.0 O O27 1 0.87110500 0.67897500 0.06476500 1.0 O O28 1 0.86864600 0.02446200 0.40138400 1.0 O O29 1 0.13276300 0.28554800 0.50738000 1.0 O O30 1 0.86710200 0.35784200 0.16169900 1.0 O O31 1 0.13349900 0.66310400 0.24147700 1.0 O O32 1 0.38080800 0.12111900 0.55281700 1.0 O O33 1 0.37290800 0.79575700 0.22137900 1.0 O O34 1 0.86848000 0.11822000 0.06779800 1.0 O O35 1 0.87209500 0.79918900 0.72153300 1.0 O O36 1 0.12790500 0.20081100 0.27846700 1.0 O O37 1 0.37072700 0.34741800 0.23540100 1.0 O O38 1 0.86650100 0.33689600 0.75852300 1.0 O O39 1 0.62482300 0.63876000 0.33053200 1.0 O O40 1 0.12803600 0.97868600 0.15752100 1.0 O O41 1 0.13289800 0.64215800 0.83830100 1.0 O O42 1 0.37049700 0.02118200 0.33531600 1.0 O O43 1 0.38276000 0.69980000 0.99440800 1.0 O O44 1 0.87196400 0.02131400 0.84247900 1.0 O O45 1 0.61503000 0.32395900 0.42624900 1.0 O O46 1 0.12889500 0.32102500 0.93523500 1.0 O O47 1 0.37460000 0.45850600 0.89229800 1.0 O O48 1 0.61919200 0.87888100 0.44718300 1.0 O O49 1 0.62540000 0.54149400 0.10770200 1.0 O O50 1 0.13417800 0.55180200 0.61749500 1.0 O O51 1 0.13152000 0.88178000 0.93220200 1.0 O O52 1 0.37222800 0.01955700 0.89726900 1.0 O O53 1 0.61724000 0.30020000 0.00559200 1.0 O O54 1 0.37517700 0.36124000 0.66946800 1.0 O O55 1 0.62927300 0.65258200 0.76459900 1.0 O O56 1 0.62777200 0.98044300 0.10273100 1.0 O O57 1 0.13135400 0.97553800 0.59861600 1.0 O O58 1 0.62709200 0.20424300 0.77862100 1.0 O O59 1 0.62950300 0.97881800 0.66468400 1.0